Geometry & MOs

Info

ID:	394328
PubChem CID:	135022773
Reduced:	N2S2O4C32H37 (1)
Stoich.:	A2B2C4D32E37 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	2.07
Dipole, Da:	1.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.069830
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-N-[1-(2-methoxy-3-methyl-4-phenylmethoxyphenyl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2SC13C(OO3)C4=C(/C(=C/C5=[N+](C6=CC=CC=C6S5)CCCCCC)/C4=O)O

DOS

IR

Vibrations