Geometry & MOs

Info

ID:	449701
PubChem CID:	135300755
Reduced:	NO2H49C75 (1)
Stoich.:	AB2C49D75 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	372.57
Dipole, Da:	13.42
IP(EA), eV:	-7.07(-2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-2-methylcyclopropyl]carbamate

Drug info:

Smile

C1C2C3=CC=CC=C3C4=CC=CC=C4C25C6C7=CC=CC=C7C8=CC=CC=C8C69C5C11C(C9)C2=C3C(=CC=C2)OC2=C3C1=C(C=C2)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations