Geometry & MOs

Info

ID:	128258
PubChem CID:	51036907
Reduced:	ClO2N7H24C27 (1)
Stoich.:	AB2C7D24E27 (1)
Weight, g/mol:	451.169446
ΔH_f, kcal/mol:	57.77
Dipole, Da:	10.93
IP(EA), eV:	-8.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(1R,2R)-2-aminocyclohexanecarbonyl]azetidin-3-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=CC(=C2)NC3=NC4=C(C=NN4C=C3)/C=C\5/CC(=O)NC5=O)NCC6=CC=CC=C6Cl

DOS

IR

Vibrations