Geometry & MOs

Info

ID:	417744
PubChem CID:	135102634
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	27.57
Dipole, Da:	3.43
IP(EA), eV:	-8.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N(C)C)N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations