Geometry & MOs

Info

ID:	39076
PubChem CID:	8139654
Reduced:	N2O2C23H25 (1)
Stoich.:	A2B2C23D25 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	11.74
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.005448
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-phenoxybenzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations