Geometry & MOs

Info

ID:	405985
PubChem CID:	135076188
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	353.04153
ΔH_f, kcal/mol:	-60.08
Dipole, Da:	2.01
IP(EA), eV:	-8.4(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-4-(2,5-dimethylpyrrol-1-yl)phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(N1C2=C(C=C(C=C2)C(=O)OCC)Br)C

DOS

IR

Vibrations