Geometry & MOs

Info

ID:	207878
PubChem CID:	80465285
Reduced:	NC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	264.231397
ΔH_f, kcal/mol:	15.28
Dipole, Da:	1.13
IP(EA), eV:	-8.82(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylcyclopropyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=CC=CC=C1)C2(CC2)C

DOS

IR

Vibrations