Geometry & MOs

Info

ID:	186998
PubChem CID:	77514102
Reduced:	NO4C23H41 (1)
Stoich.:	AB4C23D41 (1)
Weight, g/mol:	501.285223
ΔH_f, kcal/mol:	-202.1
Dipole, Da:	2.52
IP(EA), eV:	-9.18(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-[4-(3-methylmorpholin-4-yl)-7-(2-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC(C(OCC(C)(C)C)OCC(C)(C)C)NC(CO)COCC1=CC=CC=C1

DOS

IR

Vibrations