Geometry & MOs

Info

ID:	306693
PubChem CID:	125165347
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	5.92
IP(EA), eV:	-9.11(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(S)-cyclopropyl-(4-methylpyridin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1[C@H](C)CC(=O)N2CC(C2)N3CCCCC3)C)C(=O)C

DOS

IR

Vibrations