Geometry & MOs

Info

ID:	247526
PubChem CID:	103072094
Reduced:	N4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	206.153147
ΔH_f, kcal/mol:	45.66
Dipole, Da:	5.06
IP(EA), eV:	-9.31(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=C)CNC

DOS

IR

Vibrations