Geometry & MOs

Info

ID:	236876
PubChem CID:	92715257
Reduced:	N2O3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	430.225643
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	3.37
IP(EA), eV:	-8.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-[(2R,6S)-4-(4-ethylphenyl)-2-(2-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=N[C@H](N[C@@H](C2)C3=C(C(=CC=C3)OCC)O)C4=CC=CC=C4OC

DOS

IR

Vibrations