Geometry & MOs

Info

ID:	219452
PubChem CID:	85148690
Reduced:	NO2C16H17 (2)
Stoich.:	AB2C16D17 (2)
Weight, g/mol:	510.251858
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	6.43
IP(EA), eV:	-8.3(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[3-[1-[(4-methylphenyl)methyl]indol-5-yl]but-2-enoylamino]phenoxy]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)C=C(C)C2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4C

DOS

IR

Vibrations