Geometry & MOs

Info

ID:	189153
PubChem CID:	77823747
Reduced:	N4O5C24H34 (1)
Stoich.:	A4B5C24D34 (1)
Weight, g/mol:	591.254478
ΔH_f, kcal/mol:	-196.94
Dipole, Da:	9.85
IP(EA), eV:	-9.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[2,2-difluoro-4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-[3-(4-hydroxyphenyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1C(C(=O)CO1)NC(=O)C(CC2(CCC2)C)NC(=O)C3=CC=C(C=C3)NC(=O)N(C)C

DOS

IR

Vibrations