Geometry & MOs

Info

ID:	416995
PubChem CID:	135091064
Reduced:	F3O7N9C42H52 (1)
Stoich.:	A3B7C9D42E52 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-385.91
Dipole, Da:	8.61
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-methylbutanamide

Drug info:

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=NNC(=C5)C(F)(F)F)C(C)C

DOS

IR

Vibrations