Geometry & MOs

Info

ID:	277282
PubChem CID:	103827624
Reduced:	S2N3O5C9H21 (1)
Stoich.:	A2B3C5D9E21 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-228.79
Dipole, Da:	7.63
IP(EA), eV:	-10.08(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-propyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCNS(=O)(=O)CCNC(=O)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations