Geometry & MOs

Info

ID:	348854
PubChem CID:	127274502
Reduced:	N3O3C17H29 (1)
Stoich.:	A3B3C17D29 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-153.53
Dipole, Da:	5.04
IP(EA), eV:	-9.29(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCCN(C2)C(=O)N3CCCC3

DOS

IR

Vibrations