Geometry & MOs

Info

ID:	319382
PubChem CID:	126655833
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	367.193614
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	3.61
IP(EA), eV:	-7.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol

Drug info:

PubChemData

Smile

CC1(C(=O)CC2=CC(=C(C=C21)N3CCCC3)O)C

DOS

IR

Vibrations