Geometry & MOs

Info

ID:	348833
PubChem CID:	127274481
Reduced:	N2O3C15H26 (1)
Stoich.:	A2B3C15D26 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-164.68
Dipole, Da:	2.66
IP(EA), eV:	-9.46(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2(CCCCC2)NC(=O)C

DOS

IR

Vibrations