Geometry & MOs

Info

ID:	218527
PubChem CID:	85089574
Reduced:	N2O3C30H40 (1)
Stoich.:	A2B3C30D40 (1)
Weight, g/mol:	476.329045
ΔH_f, kcal/mol:	-110.37
Dipole, Da:	4.81
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3-(2-methyloctan-2-yl)-1-phenylmethoxy-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-9-carbaldehyde

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C=CC(=C1)O)NC(=O)C=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C

DOS

IR

Vibrations