Geometry & MOs

Info

ID:	331399
PubChem CID:	127248806
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	20.35
Dipole, Da:	2.57
IP(EA), eV:	-8.39(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C)C

DOS

IR

Vibrations