Geometry & MOs

Info

ID:	440698
PubChem CID:	135231022
Reduced:	NPO6C40H42 (1)
Stoich.:	ABC6D40E42 (1)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	-114.48
Dipole, Da:	5.24
IP(EA), eV:	-9.0(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-5-methoxypyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=CC=C(C=C1)C(C)(C2=CC(=C(C=C2)N(C(=O)C)C(=O)C)OC(=O)C(=C)C)P3(=O)C4=CC=CC=C4C5=CC=CC=C5O3

DOS

IR

Vibrations