Geometry & MOs

Info

ID:	123566
PubChem CID:	50854290
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	-77.41
Dipole, Da:	8.88
IP(EA), eV:	-8.49(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C(=O)/C(=C\C3=CN(C=C3)C(C)C)/SC2=O

DOS

IR

Vibrations