Geometry & MOs

Info

ID:	212332
PubChem CID:	81060191
Reduced:	N3C16H17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	60.89
Dipole, Da:	5.2
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C)C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations