Geometry & MOs

Info

ID:	1783
PubChem CID:	5046
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-61.46
Dipole, Da:	3.54
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[[4-[(3-aminophenyl)carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)N

DOS

IR

Vibrations