Geometry & MOs

Info

ID:	331276
PubChem CID:	127248683
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	448.238688
ΔH_f, kcal/mol:	9.47
Dipole, Da:	3.44
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations