Geometry & MOs

Info

ID:	190928
PubChem CID:	78077092
Reduced:	PO5N7C34H54 (1)
Stoich.:	AB5C7D34E54 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-246.1
Dipole, Da:	2.82
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-hydroxyethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCNC(=O)C(CC1=CC=C(C=C1)OP2(=O)COC(CO2)CN3C=NC4=C(N=CN=C43)N)N

DOS

IR

Vibrations