Geometry & MOs

Info

ID:	296717
PubChem CID:	117589930
Reduced:	N5C14H15 (1)
Stoich.:	A5B14C15 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	115.48
Dipole, Da:	4.7
IP(EA), eV:	-8.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenyl)-5-pyrrolidin-1-yltriazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2N=C(C(=N2)N3CCCC3)C#N

DOS

IR

Vibrations