Geometry & MOs

Info

ID:	420394
PubChem CID:	135112931
Reduced:	ClO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-82.59
Dipole, Da:	5.85
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylimidazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O)Cl

DOS

IR

Vibrations