Geometry & MOs

Info

ID:	81465
PubChem CID:	49854758
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	532.180543
ΔH_f, kcal/mol:	-55.37
Dipole, Da:	6.57
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-[(3,5-dinitrophenyl)methyl-methoxycarbonylamino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C2=C1N=CC=C2)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations