Geometry & MOs

Info

ID:	395729
PubChem CID:	135026371
Reduced:	NC20H21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	361.204179
ΔH_f, kcal/mol:	45.42
Dipole, Da:	1.41
IP(EA), eV:	-8.12(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(1-benzyl-2-methylindol-3-yl)-2,2-dimethylbut-3-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CN(C3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations