Geometry & MOs

Info

ID:	382461
PubChem CID:	134973627
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-103.49
Dipole, Da:	2.34
IP(EA), eV:	-10.08(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(dimethoxymethyl)phenyl]-3-hydroxypropyl]benzonitrile

Drug info:

PubChemData

Smile

CC1C2C(CCC2(CCC1(C)C)C(=O)OC)C3(CCN=N3)C4CO4

DOS

IR

Vibrations