Geometry & MOs

Info

ID:	281232
PubChem CID:	103911555
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	260.143725
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	2.83
IP(EA), eV:	-9.22(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-1-(4-fluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2CC2)NC[C@@H](C)O

DOS

IR

Vibrations