Geometry & MOs

Info

ID:	79987
PubChem CID:	49832009
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	452.209993
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	8.93
IP(EA), eV:	-9.55(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-cyclohexyl-18-(2-methoxyphenyl)-14-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one

Drug info:

PubChemData

Smile

CCCCCCCN1C2=CC=CC=C2C=C(C1=O)C(=O)O

DOS

IR

Vibrations