Geometry & MOs

Info

ID:	172667
PubChem CID:	75538521
Reduced:	N3O5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-166.59
Dipole, Da:	7.81
IP(EA), eV:	-8.35(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)N(C1=O)CC(=O)OC)C

DOS

IR

Vibrations