Geometry & MOs

Info

ID:	329070
PubChem CID:	126731060
Reduced:	SN2H54C81 (1)
Stoich.:	AB2C54D81 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	349.3
Dipole, Da:	2.02
IP(EA), eV:	-7.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,4-trimethylpentan-2-yl N-tert-butylcarbamate

Drug info:

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC8=C(C=C7)C9=CC=CC1=C9C(=CC=C1)S8)C1=CC2=C(C=C1)C1=CC=CC3=C1C(=CC=C3)C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations