Geometry & MOs

Info

ID:	123609
PubChem CID:	50855583
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	318.136828
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	5.66
IP(EA), eV:	-8.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)/C=N\NC(=O)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations