Geometry & MOs

Info

ID:	398464
PubChem CID:	135033387
Reduced:	NOH23C25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	323.148121
ΔH_f, kcal/mol:	78.06
Dipole, Da:	1.48
IP(EA), eV:	-8.66(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-(2-aminobenzoyl)-N-(propan-2-yloxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

C1COCCN1C(C#CC2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations