Geometry & MOs

Info

ID:	149723
PubChem CID:	53789398
Reduced:	PC28H55 (1)
Stoich.:	AB28C55 (1)
Weight, g/mol:	385.215413
ΔH_f, kcal/mol:	-117.38
Dipole, Da:	1.76
IP(EA), eV:	-8.54(2.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminophenyl)-(4-benzhydryl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CCCCCCCC)C12CCCCC(P1)CC2

DOS

IR

Vibrations