Geometry & MOs

Info

ID:	130921
PubChem CID:	51129429
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	8.21
IP(EA), eV:	-8.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCC2=CC=CC=C2O)NC(=O)NCC3=CC=CC=C3O

DOS

IR

Vibrations