Geometry & MOs

Info

ID:	336065
PubChem CID:	127255072
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	5.63
IP(EA), eV:	-8.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4

DOS

IR

Vibrations