Geometry & MOs

Info

ID:	39235
PubChem CID:	8139960
Reduced:	O2N3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-29.33
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998078
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations