Geometry & MOs

Info

ID:	312665
PubChem CID:	126607243
Reduced:	OF3N5C23H26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	439.308644
ΔH_f, kcal/mol:	-157.45
Dipole, Da:	5.0
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 4-(4-aminocyclohexyl)butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N[C@H]2C[C@H](N(C2)C(C)C)C3=NC4=CC=CC=C4N3)C(F)(F)F

DOS

IR

Vibrations