Geometry & MOs

Info

ID:	204554
PubChem CID:	79982810
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	163.110947
ΔH_f, kcal/mol:	-37.95
Dipole, Da:	2.24
IP(EA), eV:	-9.31(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-but-3-ynylimidazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)CN1C=C(N=C1)CCN

DOS

IR

Vibrations