Geometry & MOs

Info

ID:	328099
PubChem CID:	126692060
Reduced:	O3N5F6H29C32 (1)
Stoich.:	A3B5C6D29E32 (1)
Weight, g/mol:	373.251798
ΔH_f, kcal/mol:	-330.72
Dipole, Da:	7.13
IP(EA), eV:	-8.58(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-2H-pyrrol-4-yl)-N,2-dimethyl-6-(2-pyridin-2-ylhex-5-en-2-yl)aniline

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CC5=NC=CN5)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations