Geometry & MOs

Info

ID:	180827
PubChem CID:	76691440
Reduced:	PN2O4C16H27 (1)
Stoich.:	AB2C4D16E27 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-150.53
Dipole, Da:	4.73
IP(EA), eV:	-9.18(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-hydroxypropan-2-ylamino)-6-[(4-methylpyridin-2-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(OCC[N+]#[C-])OC1C2COC1(C(=C)O2)C

DOS

IR

Vibrations