Geometry & MOs

Info

ID:	331268
PubChem CID:	127248675
Reduced:	ON6C23H30 (1)
Stoich.:	AB6C23D30 (1)
Weight, g/mol:	422.223038
ΔH_f, kcal/mol:	54.8
Dipole, Da:	2.57
IP(EA), eV:	-8.6(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C)C

DOS

IR

Vibrations