Geometry & MOs

Info

ID:	167326
PubChem CID:	74810069
Reduced:	N2O2C16H31 (1)
Stoich.:	A2B2C16D31 (1)
Weight, g/mol:	386.244367
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	3.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754891
Charge, e:	1

Chem-info

IUPAC name:

[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCCC(C1=O)(C[NH+]2CCCCC2)O

DOS

IR

Vibrations