Geometry & MOs

Info

ID:	205261
PubChem CID:	80076669
Reduced:	ON2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	208.168797
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	0.84
IP(EA), eV:	-8.82(2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]cyclopropanamine

Drug info:

PubChemData

Smile

CCN(C1CNC1)C(C)C(C)O

DOS

IR

Vibrations