Geometry & MOs

Info

ID:	440191
PubChem CID:	135230101
Reduced:	N3C7H15 (1)
Stoich.:	A3B7C15 (1)
Weight, g/mol:	418.140783
ΔH_f, kcal/mol:	38.22
Dipole, Da:	3.25
IP(EA), eV:	-8.36(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-7-[(1S)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C)N=NC(=C)C

DOS

IR

Vibrations