Geometry & MOs

Info

ID:	331415
PubChem CID:	127248822
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	29.48
Dipole, Da:	2.95
IP(EA), eV:	-8.43(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations