Geometry & MOs

Info

ID:	419561
PubChem CID:	135108418
Reduced:	SO4N7C27H35 (1)
Stoich.:	AB4C7D27E35 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-82.92
Dipole, Da:	3.57
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2-propylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)C4=CC=CN4)N=N3

DOS

IR

Vibrations