Geometry & MOs

Info

ID:	244449
PubChem CID:	99355566
Reduced:	FON5C19H22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-21.76
Dipole, Da:	4.2
IP(EA), eV:	-9.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCC(=O)N[C@H](C2=CC=C(C=C2)F)C3=NC=CN3C

DOS

IR

Vibrations