Geometry & MOs

Info

ID:	201887
PubChem CID:	79597925
Reduced:	NC9H17 (1)
Stoich.:	AB9C17 (1)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	9.05
Dipole, Da:	2.15
IP(EA), eV:	-8.89(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CCCNC)CC=C

DOS

IR

Vibrations