Geometry & MOs

Info

ID:	348829
PubChem CID:	127274477
Reduced:	NO2C10H17 (2)
Stoich.:	AB2C10D17 (2)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-214.15
Dipole, Da:	4.71
IP(EA), eV:	-9.22(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCCC(C2)C(=O)N3CCCOC(C3)C

DOS

IR

Vibrations