Geometry & MOs

Info

ID:	348873
PubChem CID:	127274521
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	4.39
IP(EA), eV:	-9.16(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(6-methylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(N(N=C2)C)C

DOS

IR

Vibrations