Geometry & MOs

Info

ID:	189112
PubChem CID:	77818948
Reduced:	Cl2N3O6C31H35 (1)
Stoich.:	A2B3C6D31E35 (1)
Weight, g/mol:	287.220892
ΔH_f, kcal/mol:	-201.31
Dipole, Da:	2.52
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-amino-3-(3-aminooxepan-3-yl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C1=NC(CC=C1)C=CCOC2=CC=C(C=C2)CC(C(=O)OC)NC(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations