Geometry & MOs

Info

ID:	353189
PubChem CID:	127284369
Reduced:	SO3N4C17H30 (1)
Stoich.:	AB3C4D17E30 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-157.6
Dipole, Da:	4.04
IP(EA), eV:	-8.87(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(isoquinoline-4-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CSCC(=O)N2CCCN(CC2)C(=O)N

DOS

IR

Vibrations