Geometry & MOs

Info

ID:	348864
PubChem CID:	127274512
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-109.87
Dipole, Da:	4.55
IP(EA), eV:	-9.06(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations