Geometry & MOs

Info

ID:	39183
PubChem CID:	8139881
Reduced:	ClO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-43.63
Dipole, Da:	8.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.980472
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations