Geometry & MOs

Info

ID:	331448
PubChem CID:	127248855
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	6.89
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)OC

DOS

IR

Vibrations