Geometry & MOs

Info

ID:	128648
PubChem CID:	51053173
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	312.134816
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	8.45
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[2-acetyl-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-2-ium-3-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(C(=O)N2)C(=O)NCCN(C)C)C(=O)C1)C

DOS

IR

Vibrations