Geometry & MOs

Info

ID:	177464
PubChem CID:	76188910
Reduced:	PN5O11C52H54 (1)
Stoich.:	AB5C11D52E54 (1)
Weight, g/mol:	333.136493
ΔH_f, kcal/mol:	-326.53
Dipole, Da:	2.43
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-2-enyl-3-(2-hydroxy-5-methylbenzoyl)quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)OP(=O)(COC1C(OC(C1OC(=O)C2=CC=CC=C2)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)OC(C)C

DOS

IR

Vibrations