Geometry & MOs

Info

ID:	187217
PubChem CID:	77545766
Reduced:	NOC8H10 (4)
Stoich.:	ABC8D10 (4)
Weight, g/mol:	544.304956
ΔH_f, kcal/mol:	-120.17
Dipole, Da:	3.7
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(cyclohexylamino)-3-hydroxyphenyl]butan-2-yl]-3-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]benzamide

Drug info:

PubChemData

Smile

CC1=COC(=N1)C2CCCN2C(=O)C3=CC=CC(=C3)C(=O)NC(C)(C4=CC=CC=C4)C(CNC5CCCCC5)O

DOS

IR

Vibrations