Geometry & MOs

Info

ID:	245398
PubChem CID:	99444286
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	5.91
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations