Geometry & MOs

Info

ID:	133242
PubChem CID:	51496884
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	313.215413
ΔH_f, kcal/mol:	83.77
Dipole, Da:	8.35
IP(EA), eV:	-8.89(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CN[C@H](C)C4=CC=CS4

DOS

IR

Vibrations