Geometry & MOs

Info

ID:	222402
PubChem CID:	85297381
Reduced:	O3N6C22H28 (1)
Stoich.:	A3B6C22D28 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-45.4
Dipole, Da:	3.29
IP(EA), eV:	-9.07(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[2-oxo-2-(phenylmethoxyamino)ethyl]-3-propan-2-ylcyclopropyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C1=NC=CC(=N1)N2C(CN(CC2C)C3=NC4=C(O3)C=NC=C4)C

DOS

IR

Vibrations