Geometry & MOs

Info

ID:	270200
PubChem CID:	103633606
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	4.73
IP(EA), eV:	-9.02(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

CCCOCC(=O)NC1(CCN(CC1)C)C#N

DOS

IR

Vibrations