Geometry & MOs

Info

ID:	172403
PubChem CID:	75504662
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-53.19
Dipole, Da:	5.76
IP(EA), eV:	-8.72(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methylfuran-2-yl)-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCNC(C)C2=CC=C(O2)C

DOS

IR

Vibrations