Geometry & MOs

Info

ID:	319901
PubChem CID:	126657530
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-132.56
Dipole, Da:	1.86
IP(EA), eV:	-9.46(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-4-[3-methyl-4-(piperidin-4-ylmethoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCN(CC1)O

DOS

IR

Vibrations