Geometry & MOs

Info

ID:	321836
PubChem CID:	126667058
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	462.162723
ΔH_f, kcal/mol:	37.11
Dipole, Da:	1.64
IP(EA), eV:	-8.37(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-2-(2,3-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(=C)C1(CC=C(C(=C1)N(C)C)C=C)C

DOS

IR

Vibrations