Geometry & MOs

Info

ID:	172474
PubChem CID:	75513056
Reduced:	ION5C17H34 (1)
Stoich.:	ABC5D17E34 (1)
Weight, g/mol:	323.268511
ΔH_f, kcal/mol:	-47.61
Dipole, Da:	2.87
IP(EA), eV:	-8.82(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[amino(azepan-1-yl)methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCCN1CCCN=C(N)N2CCCCCC2.I

DOS

IR

Vibrations