Geometry & MOs

Info

ID:	401650
PubChem CID:	135051981
Reduced:	N4O4C11H12 (1)
Stoich.:	A4B4C11D12 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	12.31
Dipole, Da:	4.53
IP(EA), eV:	-9.48(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(morpholin-4-ylmethyl)-3-phenyl-4,5-dihydrotriazol-4-yl]morpholine

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)C)/N=O)/NNC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations