Geometry & MOs

Info

ID:	423501
PubChem CID:	135119612
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	368.150285
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	3.55
IP(EA), eV:	-8.93(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(3-chloro-4,5-diethoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCC1(CCCN(C1)C(=O)C2=CC=CN2C(C)C)O

DOS

IR

Vibrations