Geometry & MOs

Info

ID:	51545
PubChem CID:	12014233
Reduced:	IN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	252.150073
ΔH_f, kcal/mol:	75.63
Dipole, Da:	4.16
IP(EA), eV:	-8.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-ethyl-5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-4-ium

Drug info:

PubChemData

Smile

CC[N+]1=C(C=C(N2C1=CC(=N2)C3=CC=CC=C3)C)C.[I-]

DOS

IR

Vibrations