Geometry & MOs

Info

ID:	277259
PubChem CID:	103827536
Reduced:	O3N4C9H18 (1)
Stoich.:	A3B4C9D18 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-159.39
Dipole, Da:	1.91
IP(EA), eV:	-10.06(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C(CC(=O)N)N)C(=O)N

DOS

IR

Vibrations