Geometry & MOs

Info

ID:	39228
PubChem CID:	8139950
Reduced:	N2O3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	4.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136694
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(3-methylbutoxy)benzamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C)OC

DOS

IR

Vibrations