Geometry & MOs

Info

ID:	163500
PubChem CID:	58006283
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-43.74
Dipole, Da:	2.95
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=C(C(=CC=C1)OC)C=O

DOS

IR

Vibrations