Geometry & MOs

Info

ID:	368098
PubChem CID:	127327474
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	6.15
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[[1-(3-fluorophenyl)piperidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(CC2)NC3=NC4=C(N3C)C(=O)NC(=O)N4C

DOS

IR

Vibrations