Geometry & MOs

Info

ID:	322022
PubChem CID:	126668303
Reduced:	NPO10C20H36 (1)
Stoich.:	ABC10D20E36 (1)
Weight, g/mol:	429.230394
ΔH_f, kcal/mol:	-464.83
Dipole, Da:	2.88
IP(EA), eV:	-9.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-6-(methylaminomethyl)-2-phenylmethoxyphenyl]-2-(1-phenylcyclopropyl)propanal

Drug info:

PubChemData

Smile

C[C@H]1C(CC([C@H](C(O1)CO)O)O[C@@H](CP)OC(C(C=O)OC(C)(C)C)C(=O)O)NC(=O)C

DOS

IR

Vibrations