Geometry & MOs

Info

ID:	143881
PubChem CID:	53274413
Reduced:	ClN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	270.092376
ΔH_f, kcal/mol:	48.93
Dipole, Da:	1.57
IP(EA), eV:	-8.49(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-1-(1H-indol-6-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CCNCC2=CC3=C(C=C2)C=CN3

DOS

IR

Vibrations