Geometry & MOs

Info

ID:	39283
PubChem CID:	8140053
Reduced:	O2N3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	6.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.987323
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=CC=C2C[NH+](C)C)C

DOS

IR

Vibrations