Geometry & MOs

Info

ID:	201124
PubChem CID:	79491097
Reduced:	S2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	293.133969
ΔH_f, kcal/mol:	31.18
Dipole, Da:	2.3
IP(EA), eV:	-8.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[4-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(SC(=N1)N(C)CCC2=CC=CS2)CNC

DOS

IR

Vibrations