Geometry & MOs

Info

ID:	39207
PubChem CID:	8139917
Reduced:	N2O2C21H29 (1)
Stoich.:	A2B2C21D29 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.005201
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[[2-[(dimethylamino)methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations