Geometry & MOs

Info

ID:	343875
PubChem CID:	127267051
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	2.36
IP(EA), eV:	-8.71(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-[(1-methylpyrazol-3-yl)methoxy]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NCC2=C(C=CC=C2OC)C

DOS

IR

Vibrations