Geometry & MOs

Info

ID:	25837
PubChem CID:	631543
Reduced:	O4C21H32 (1)
Stoich.:	A4B21C32 (1)
Weight, g/mol:	417.127581
ΔH_f, kcal/mol:	-213.83
Dipole, Da:	5.7
IP(EA), eV:	-9.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(2-methoxyphenyl)-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1C2C(CCC1=CC(=O)OC)C3(CCC(C(C3CC2=O)(C)C)O)C

DOS

IR

Vibrations