Geometry & MOs

Info

ID:	418448
PubChem CID:	135104871
Reduced:	ClNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	349.155705
ΔH_f, kcal/mol:	-179.8
Dipole, Da:	4.33
IP(EA), eV:	-9.58(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)C(=O)CCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations