Geometry & MOs

Info

ID:	145664
PubChem CID:	53567907
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-136.9
Dipole, Da:	8.26
IP(EA), eV:	-8.98(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)N

DOS

IR

Vibrations