Geometry & MOs

Info

ID:	310592
PubChem CID:	126583413
Reduced:	BrClO3N4C22H32 (1)
Stoich.:	ABC3D4E22F32 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-95.26
Dipole, Da:	6.88
IP(EA), eV:	-8.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[[1-(2-hydroxyphenyl)indol-3-yl]methyl]morpholine-2-carboximidamide

Drug info:

PubChemData

Smile

CN(CCCCOC)C1=C(C(=CC(=C1)CN(C2CC2)C(=O)C3CNCCO3)Cl)C(=N)Br

DOS

IR

Vibrations