Geometry & MOs

Info

ID:	422281
PubChem CID:	135117552
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	15.62
Dipole, Da:	9.03
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2S1)CN3CCCC(C3)C4=CC(=O)N=CN4

DOS

IR

Vibrations