Geometry & MOs

Info

ID:	447645
PubChem CID:	135284440
Reduced:	NC32H55 (1)
Stoich.:	AB32C55 (1)
Weight, g/mol:	463.244662
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	2.47
IP(EA), eV:	-8.98(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyridin-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(=CCC/C=C(\C)/CC/C=C(\C)/CC/C(=C/CC/C(=C/CC/C=C(\C)/CCCN)/C)/C)C

DOS

IR

Vibrations