Geometry & MOs

Info

ID:	70895
PubChem CID:	48414012
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	20.07
Dipole, Da:	6.04
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=N1)N3CCCCCC3=N2)C(=O)NCC4=C(NN=C4)C

DOS

IR

Vibrations