Geometry & MOs

Info

ID:	247598
PubChem CID:	103072358
Reduced:	N5C9H13 (1)
Stoich.:	A5B9C13 (1)
Weight, g/mol:	205.132746
ΔH_f, kcal/mol:	95.68
Dipole, Da:	8.45
IP(EA), eV:	-9.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C=NC(=N1)C#N

DOS

IR

Vibrations