Geometry & MOs

Info

ID:	418531
PubChem CID:	135105542
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-120.95
Dipole, Da:	7.38
IP(EA), eV:	-8.99(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[cyclopropyl-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]amino]methyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3)S(=O)(=O)C

DOS

IR

Vibrations