Geometry & MOs

Info

ID:	265124
PubChem CID:	103510756
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	24.86
Dipole, Da:	1.88
IP(EA), eV:	-8.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)NC2=CC=C(C=C2)N3CCNCC3

DOS

IR

Vibrations