Geometry & MOs

Info

ID:	218526
PubChem CID:	85089573
Reduced:	O3N4C28H36 (1)
Stoich.:	A3B4C28D36 (1)
Weight, g/mol:	476.303893
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	5.01
IP(EA), eV:	-8.24(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butanoylamino)-4-hydroxyphenyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

Drug info:

PubChemData

Smile

CC1CCCCC1OC(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)NCC(C4=CC=CC=C4)N

DOS

IR

Vibrations