Geometry & MOs

Info

ID:	148518
PubChem CID:	53788181
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	223.110947
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	5.89
IP(EA), eV:	-8.4(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methyl-1-phenylpyrrol-3-yl)-1H-pyrazole

Drug info:

PubChemData

Smile

CC1CCOC2=C1C3=C(C=C2)N(C(C3CNC(=O)C)C)C=O

DOS

IR

Vibrations