Geometry & MOs

Info

ID:	193337
PubChem CID:	78377790
Reduced:	N2O3C28H32 (1)
Stoich.:	A2B3C28D32 (1)
Weight, g/mol:	541.210052
ΔH_f, kcal/mol:	-81.07
Dipole, Da:	1.9
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[[7-(diphenylcarbamoyloxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl]oxy]benzoate

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)OC3=C(C2=O)C(N(C3=O)C4=NC=CC(=C4)C)C5=CC=C(C=C5)C(C)C

DOS

IR

Vibrations