Geometry & MOs

Info

ID:	364810
PubChem CID:	127316152
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	7.97
Dipole, Da:	3.24
IP(EA), eV:	-9.03(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations