Geometry & MOs

Info

ID:	423007
PubChem CID:	135118755
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	10.45
Dipole, Da:	4.22
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NN(N=N4)C)OCC1

DOS

IR

Vibrations