Geometry & MOs

Info

ID:	391640
PubChem CID:	135007545
Reduced:	NH15C22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	116.88
Dipole, Da:	4.99
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(4-phenyl-1H-pyrrol-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C#N)C(=C1C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations