Geometry & MOs

Info

ID:	434902
PubChem CID:	135175937
Reduced:	NC34H53 (1)
Stoich.:	AB34C53 (1)
Weight, g/mol:	364.109089
ΔH_f, kcal/mol:	-63.8
Dipole, Da:	1.51
IP(EA), eV:	-8.73(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1C(C)C)CC)CC(C)C2=C(C=CC(=N2)CC(C)C3CCCCC3C)C(C)C

DOS

IR

Vibrations