Geometry & MOs

Info

ID:	39222
PubChem CID:	8139941
Reduced:	N2O3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	2.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003488
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations