Geometry & MOs

Info

ID:	149232
PubChem CID:	53788904
Reduced:	N2O2H18C21 (2)
Stoich.:	A2B2C18D21 (2)
Weight, g/mol:	336.266445
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	5.27
IP(EA), eV:	-8.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,7-dimethyl-4-(5-methyl-2-propan-2-ylcyclohexyl)octa-1,6-dien-3-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C(=C1)NCC(C3=CC=CC=N3)C(=O)NC4=CC=CC5=CC=CC=C54)C(=O)OC26C7=CC=CC=C7OC8=CC=CC=C68

DOS

IR

Vibrations