Geometry & MOs

Info

ID:	176861
PubChem CID:	76106138
Reduced:	ON3C5H11 (1)
Stoich.:	AB3C5D11 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	4.87
IP(EA), eV:	-9.57(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[amino-[4-[[[1-(2-aminoacetyl)-2-cyclohexylpyrrolidine-2-carbonyl]amino]methyl]naphthalen-1-yl]methylidene]carbamate

Drug info:

PubChemData

Smile

CCC1NC(=O)CNN1

DOS

IR

Vibrations