Geometry & MOs

Info

ID:	272857
PubChem CID:	103762382
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-176.55
Dipole, Da:	3.68
IP(EA), eV:	-9.15(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[(1-propylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCOC)(CNC(=O)CC1=CC=C(C=C1)O)O

DOS

IR

Vibrations