Geometry & MOs

Info

ID:	296714
PubChem CID:	117589740
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	285.122575
ΔH_f, kcal/mol:	5.99
Dipole, Da:	6.31
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-5-morpholin-4-yltriazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2N=C(C(=N2)NCC=C)C(=O)O)C

DOS

IR

Vibrations