Geometry & MOs

Info

ID:	172282
PubChem CID:	75488719
Reduced:	FO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-129.93
Dipole, Da:	4.58
IP(EA), eV:	-9.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-2-ylmethyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCNC(=O)CC[C@H]2C(=O)N(C(=O)N2)CC3=CC(=CC=C3)F

DOS

IR

Vibrations