Geometry & MOs

Info

ID:	423837
PubChem CID:	135120461
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-136.21
Dipole, Da:	6.98
IP(EA), eV:	-9.2(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C(C=C2)C(=O)N(C)CC3(CCOCC3)CO

DOS

IR

Vibrations