Geometry & MOs

Info

ID:	334766
PubChem CID:	127253441
Reduced:	NO2H11C14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	540.294785
ΔH_f, kcal/mol:	-31.69
Dipole, Da:	2.83
IP(EA), eV:	-8.4(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[2-(dimethylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN5C=CC6=CC=CC=C65)OC

DOS

IR

Vibrations