Geometry & MOs

Info

ID:	331258
PubChem CID:	127248665
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	6.11
Dipole, Da:	7.57
IP(EA), eV:	-8.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations