Geometry & MOs

Info

ID:	25791
PubChem CID:	630630
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-53.81
Dipole, Da:	3.84
IP(EA), eV:	-8.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butoxy-2-[5-(4-hydroxyphenyl)pyrimidin-2-yl]phenol

Drug info:

PubChemData

Smile

CC(=O)NCCC1=CC2=C(C=C1)N(C3(C2(C)C)C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C

DOS

IR

Vibrations