Geometry & MOs

Info

ID:	368343
PubChem CID:	127327938
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-27.77
Dipole, Da:	2.19
IP(EA), eV:	-8.92(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations