Geometry & MOs

Info

ID:	189161
PubChem CID:	77823987
Reduced:	N3O5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	551.263151
ΔH_f, kcal/mol:	-220.11
Dipole, Da:	8.93
IP(EA), eV:	-9.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[cyclopropyl-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]piperidin-4-yl]phenyl] ethyl carbonate

Drug info:

PubChemData

Smile

CCC1C(C(=O)CO1)NC(=O)C(CC2(CCCC2)C)NC(=O)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations