Geometry & MOs

Info

ID:	260265
PubChem CID:	103187121
Reduced:	ClO2N4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	340.130218
ΔH_f, kcal/mol:	-21.89
Dipole, Da:	2.59
IP(EA), eV:	-9.35(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(6-chloropyrazine-2-carbonyl)-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations