Geometry & MOs

Info

ID:	364784
PubChem CID:	127316122
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	-7.51
Dipole, Da:	9.55
IP(EA), eV:	-8.88(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=NC=C(C(=O)N2C=C1)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations