Geometry & MOs

Info

ID:	221311
PubChem CID:	85267594
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	396.193674
ΔH_f, kcal/mol:	-75.35
Dipole, Da:	3.8
IP(EA), eV:	-8.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-diformyl-4-hydroxy-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl) 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N=[N+]=[N-]

DOS

IR

Vibrations