Geometry & MOs

Info

ID:	164572
PubChem CID:	74418179
Reduced:	OSN3C23H39 (1)
Stoich.:	ABC3D23E39 (1)
Weight, g/mol:	300.207587
ΔH_f, kcal/mol:	-3.1
Dipole, Da:	25.64
IP(EA), eV:	-5.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,4-dihydro-2H-chromen-3-yl-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCC[NH+](C2)CC3=CC(=CC=C3)SC

DOS

IR

Vibrations