Geometry & MOs

Info

ID:	323758
PubChem CID:	126676034
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	2.39
IP(EA), eV:	-9.64(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-[[5-formyl-3-(methylcarbamoyl)-2-oxopyridin-1-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC[C@H]1C[C@@H]1N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations