Geometry & MOs

Info

ID:	355612
PubChem CID:	127289370
Reduced:	OSN7C17H21 (1)
Stoich.:	ABC7D17E21 (1)
Weight, g/mol:	370.24811
ΔH_f, kcal/mol:	74.03
Dipole, Da:	7.75
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CSC(=N3)C4=CN(N=C4)C

DOS

IR

Vibrations