Geometry & MOs

Info

ID:	364622
PubChem CID:	127315874
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	4.22
IP(EA), eV:	-8.87(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2COC3=CC=CC=C23

DOS

IR

Vibrations