Geometry & MOs

Info

ID:	185662
PubChem CID:	77327904
Reduced:	O2N5C15H17 (2)
Stoich.:	A2B5C15D17 (2)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	5.34
IP(EA), eV:	-9.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2,2-dimethyl-3-(pyridin-2-ylmethylamino)-4-pyrimidin-2-yl-4H-chromene-6-carbonitrile

Drug info:

PubChemData

Smile

CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCN4C=NC=N4)NCC(C5=CC=CC=C5)C6=CC=CC=C6)O)O

DOS

IR

Vibrations