Geometry & MOs

Info

ID:	364756
PubChem CID:	127316087
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-33.61
Dipole, Da:	3.32
IP(EA), eV:	-9.12(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations