Geometry & MOs

Info

ID:	350823
PubChem CID:	127279111
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-27.71
Dipole, Da:	6.93
IP(EA), eV:	-8.66(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)CC4=NN=C5N4CCCC5

DOS

IR

Vibrations