Geometry & MOs

Info

ID:	382101
PubChem CID:	134973036
Reduced:	N3O4H17C20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	1.63
IP(EA), eV:	-9.9(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxy-2-phenylmethoxyphenoxy)methyl]oxirane

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H]3C[C@H]([C@@H]2O1)C4=NC(=NC=C34)N5C(=O)C6=CC=CC=C6C5=O)C

DOS

IR

Vibrations