Geometry & MOs

Info

ID:	427672
PubChem CID:	135161134
Reduced:	FO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	408.187401
ΔH_f, kcal/mol:	-101.73
Dipole, Da:	0.97
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-ethyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-N-[(5-methylidene-1,2-dihydropyrrol-3-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC(=C)/C=C\C(=C)/C=C/C(=C(\C=C)/OC(=O)C(=C)C)/F

DOS

IR

Vibrations