Geometry & MOs

Info

ID:	426188
PubChem CID:	135142222
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-113.21
Dipole, Da:	4.05
IP(EA), eV:	-8.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-(ethylamino)-5-methoxy-2-methylphenyl]-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2N=N1)C)[C@H](C3=CC(=C(C=C3)C)CO)C(C)(C)C(=O)OC)OC

DOS

IR

Vibrations