Geometry & MOs

Info

ID:	186914
PubChem CID:	77504632
Reduced:	N3O10C38H45 (1)
Stoich.:	A3B10C38D45 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-229.61
Dipole, Da:	3.47
IP(EA), eV:	-8.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC.CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O

DOS

IR

Vibrations