Geometry & MOs

Info

ID:	445363
PubChem CID:	135266497
Reduced:	FON2C26H31 (1)
Stoich.:	ABC2D26E31 (1)
Weight, g/mol:	357.165956
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	2.84
IP(EA), eV:	-8.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorocyclohexa-1,3-dien-1-yl)-3-(3-fluoro-5-methylphenyl)-4,5-dimethyl-1-propan-2-ylpyrrole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N(C(=C2CCC(CCNC=C)O)C)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations