Geometry & MOs

Info

ID:	350824
PubChem CID:	127279112
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	5.09
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-cyclopropyl-4-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=C(N4C5CC5)C

DOS

IR

Vibrations