Geometry & MOs

Info

ID:	349303
PubChem CID:	127275090
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-124.27
Dipole, Da:	3.05
IP(EA), eV:	-9.16(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepan-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NCC2=CC=CC=C2CN3CCCC3=O

DOS

IR

Vibrations