Geometry & MOs

Info

ID:	343838
PubChem CID:	127267014
Reduced:	FON3C17H28 (1)
Stoich.:	ABC3D17E28 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-78.82
Dipole, Da:	2.13
IP(EA), eV:	-8.43(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-cyclopropyl-1-phenyltriazol-4-yl)methyl]-1-(2-methoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CC(C)(CN1CCOCC1)CN(C)CC2=C(C(=CC=C2)F)N

DOS

IR

Vibrations