Geometry & MOs

Info

ID:	312094
PubChem CID:	126603042
Reduced:	Cl2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	33.64
Dipole, Da:	4.1
IP(EA), eV:	-8.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-2,3-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C)/C=C\C=C)CCNC2=C(C=C(C=C2Cl)N)Cl

DOS

IR

Vibrations