Geometry & MOs

Info

ID:	126270
PubChem CID:	50957991
Reduced:	N5C19H27 (1)
Stoich.:	A5B19C27 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	37.94
Dipole, Da:	6.12
IP(EA), eV:	-8.99(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2CCCN(C2)CC3=CN=CC=C3)C(C)C

DOS

IR

Vibrations