Geometry & MOs

Info

ID:	361111
PubChem CID:	127302027
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	9.05
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NCC3CN(CCN3C)C)NC(=O)C1=O

DOS

IR

Vibrations