Geometry & MOs

Info

ID:	187538
PubChem CID:	77586720
Reduced:	FN4O4C30H37 (1)
Stoich.:	AB4C4D30E37 (1)
Weight, g/mol:	581.300205
ΔH_f, kcal/mol:	-151.88
Dipole, Da:	12.06
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(2-benzylpiperazine-1-carbonyl)-5-phenylimidazol-1-yl]-1-hydroxycyclohexyl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COCC1(CCCCC1N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCNCC4CCOC5=CC(=CC=C5)F)O

DOS

IR

Vibrations