Geometry & MOs

Info

ID:	443801
PubChem CID:	135260017
Reduced:	ON2C14H20 (2)
Stoich.:	AB2C14D20 (2)
Weight, g/mol:	405.160103
ΔH_f, kcal/mol:	-11.33
Dipole, Da:	6.33
IP(EA), eV:	-8.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[4-(3-methyloxetan-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=CC(=C1)CN2C[C@@H](N([C@H](C2)C)CC3=CC=C(C=C3)/C=C/C(=O)NO)C

DOS

IR

Vibrations