Geometry & MOs

Info

ID:	309582
PubChem CID:	126549444
Reduced:	IN3C4H4 (1)
Stoich.:	AB3C4D4 (1)
Weight, g/mol:	493.309313
ΔH_f, kcal/mol:	66.16
Dipole, Da:	1.79
IP(EA), eV:	-9.09(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)NI

DOS

IR

Vibrations