Geometry & MOs

Info

ID:	289698
PubChem CID:	104368492
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	3.0
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethoxypyrazin-2-yl)-hydroxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1(C2CCC(C2)(C1(C3=NC=C(N=C3OC)OC)O)C)C

DOS

IR

Vibrations