Geometry & MOs

Info

ID:	182917
PubChem CID:	76954842
Reduced:	BrON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	330.267114
ΔH_f, kcal/mol:	42.12
Dipole, Da:	1.81
IP(EA), eV:	-8.36(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(cyclopropylmethyl)-13-(methylamino)-17-azatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-10-ol

Drug info:

PubChemData

Smile

CN=C1N(C(=CC2=CNC3=C2C(=CC=C3)Br)C(=O)N1C)C

DOS

IR

Vibrations