Geometry & MOs

Info

ID:	437898
PubChem CID:	135227237
Reduced:	N2O5C25H42 (1)
Stoich.:	A2B5C25D42 (1)
Weight, g/mol:	324.124961
ΔH_f, kcal/mol:	-270.65
Dipole, Da:	5.75
IP(EA), eV:	-9.37(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-yl]-3-methylbut-1-en-2-amine

Drug info:

PubChemData

Smile

CC1([C@]2(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC)CC13CCC3)C

DOS

IR

Vibrations