Geometry & MOs

Info

ID:	73951
PubChem CID:	48421273
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	286.117824
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	6.21
IP(EA), eV:	-8.35(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)COC2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations