Geometry & MOs

Info

ID:	396679
PubChem CID:	135029025
Reduced:	N2O3H20C25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	174.090546
ΔH_f, kcal/mol:	-35.06
Dipole, Da:	3.88
IP(EA), eV:	-9.02(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyltriazol-4-yl)methyl]pent-4-ynenitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2C3C(=O)C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O)C

DOS

IR

Vibrations