Geometry & MOs

Info

ID:	190181
PubChem CID:	77963198
Reduced:	O5N8C43H58 (1)
Stoich.:	A5B8C43D58 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-148.98
Dipole, Da:	8.24
IP(EA), eV:	-8.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-(6-methylcyclohexa-2,4-dien-1-yl)morpholin-4-yl]-6-pyrimidin-4-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)C1CCC(CC1)C(=O)N2CCCC2C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(CC5)C6=CN=C(N6)C7CCCN7C(=O)C(C(C)OC)NC(=O)O

DOS

IR

Vibrations