Geometry & MOs

Info

ID:	150315
PubChem CID:	53790003
Reduced:	N2O3C19H36 (1)
Stoich.:	A2B3C19D36 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	-190.11
Dipole, Da:	3.98
IP(EA), eV:	-9.2(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCC(=O)O)C(=O)N1CCNCC1

DOS

IR

Vibrations