Geometry & MOs

Info

ID:	123649
PubChem CID:	50857842
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	346.204513
ΔH_f, kcal/mol:	78.65
Dipole, Da:	9.03
IP(EA), eV:	-8.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N=CC2=CN(C(=C2)C)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations